Hemiasterlin
TL;DR: Hemiasterlin (CAS 157207-90-4) is a chemical compound with molecular formula C30H46N4O4 and molecular weight 526.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Also Known As: Hemiasterlin, Milnamide B, (-)-Hemiasterlin, (-)-Milnamide B, SID:162064781
| Molecular Formula | C30H46N4O4 |
|---|---|
| Molecular Weight | 526.35 g/mol |
| LogP | 4.0887 |
| Topological Polar Surface Area | 103.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 526.3519 |
| Heavy Atoms | 38 |
| Complexity | 1202.5438 |
Chemical Identifiers
| CAS Number | 157207-90-4 |
|---|---|
| SMILES | CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CN(C2=CC=CC=C21)C)NC |
Product Overview
Hemiasterlin (CAS 157207-90-4), with molecular formula C30H46N4O4 and molecular weight 526.35 g/mol. IUPAC: (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid.
Chemical Property Profile of Hemiasterlin
Property Insights of Hemiasterlin
The XLogP value of 4.0887 indicates that Hemiasterlin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemiasterlin. Following Lipinski's Rule of Five, Hemiasterlin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hemiasterlin?
The CAS number of Hemiasterlin is 157207-90-4.
What is the molecular formula of Hemiasterlin?
The molecular formula of Hemiasterlin is C30H46N4O4.
What is the molecular weight of Hemiasterlin?
The molecular weight of Hemiasterlin is 526.35 g/mol.
Where can I buy Hemiasterlin?
You can request a quote for Hemiasterlin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemiasterlin?
Yes, KEHONG BIO provides custom synthesis services for Hemiasterlin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.